1-(4-bromonaphthalene-2-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-4-carboxamide

C24H21BrN6O2 — CID 166373992

IUPAC1-(4-bromonaphthalene-2-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)C1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1
InChIInChI=1S/C24H21BrN6O2/c25-21-14-18(12-16-4-1-2-7-20(16)21)24(33)31-10-8-15(9-11-31)23(32)26-19-6-3-5-17(13-19)22-27-29-30-28-22/h1-7,12-15H,8-11H2,(H,26,32)(H,27,28,29,30)
InChIKeyIGFGJQKKUMXPNY-UHFFFAOYSA-N
MW505.38 g/mol
LogP4.27
Rot. Bonds4

About 1-(4-bromonaphthalene-2-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-4-carboxamide

1-(4-bromonaphthalene-2-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-4-carboxamide (PubChem CID 166373992) has the molecular formula C24H21BrN6O2 and a molecular weight of 505.38 g/mol. Its IUPAC name is 1-(4-bromonaphthalene-2-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromonaphthalene-2-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-4-carboxamide
PubChem CID166373992
Molecular FormulaC24H21BrN6O2
Molecular Weight505.38 g/mol
Exact Mass504.09
IUPAC Name1-(4-bromonaphthalene-2-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)C1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1
InChIInChI=1S/C24H21BrN6O2/c25-21-14-18(12-16-4-1-2-7-20(16)21)24(33)31-10-8-15(9-11-31)23(32)26-19-6-3-5-17(13-19)22-27-29-30-28-22/h1-7,12-15H,8-11H2,(H,26,32)(H,27,28,29,30)
InChIKeyIGFGJQKKUMXPNY-UHFFFAOYSA-N
XLogP4.27
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.38
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dibromobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 166373996
(3R)-1-(4-chlorobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 41076935
(2S,3aR,7aR)-1-(naphthalene-2-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 170265609
N-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide
CID 55610513
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941735
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 166185180
N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide
CID 43712968
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
1-(naphthalene-1-carbonyl)-N-(3-sulfamoylphenyl)piperidine-4-carboxamide
CID 27396106
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17126994

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromonaphthalene-2-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromonaphthalene-2-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-4-carboxamide (CID 166373992) is 1-(4-bromonaphthalene-2-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromonaphthalene-2-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromonaphthalene-2-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CCN(C(=O)c2cc(Br)c3ccccc3c2)CC1.
What is the InChIKey of 1-(4-bromonaphthalene-2-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is IGFGJQKKUMXPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN6O2/c25-21-14-18(12-16-4-1-2-7-20(16)21)24(33)31-10-8-15(9-11-31)23(32)26-19-6-3-5-17(13-19)22-27-29-30-28-22/h1-7,12-15H,8-11H2,(H,26,32)(H,27,28,29,30).
What are the key properties of 1-(4-bromonaphthalene-2-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-4-carboxamide?
1-(4-bromonaphthalene-2-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 505.38 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromonaphthalene-2-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 166373992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).